(2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

C22H26N2O — CID 797018

IUPAC(2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESO[C@@H](CNCc1ccccc1)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C22H26N2O/c25-18(15-23-14-17-8-2-1-3-9-17)16-24-21-12-6-4-10-19(21)20-11-5-7-13-22(20)24/h1-4,6,8-10,12,18,23,25H,5,7,11,13-16H2/t18-/m0/s1
InChIKeyDRGXYEACPYEKIE-SFHVURJKSA-N
MW334.46 g/mol
LogP3.67
Rot. Bonds6

About (2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

(2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (PubChem CID 797018) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
PubChem CID797018
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESO[C@@H](CNCc1ccccc1)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C22H26N2O/c25-18(15-23-14-17-8-2-1-3-9-17)16-24-21-12-6-4-10-19(21)20-11-5-7-13-22(20)24/h1-4,6,8-10,12,18,23,25H,5,7,11,13-16H2/t18-/m0/s1
InChIKeyDRGXYEACPYEKIE-SFHVURJKSA-N
XLogP3.67
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 1096351
1-(benzylamino)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;oxalic acid
CID 163330966
1-(2-phenylpropan-2-ylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 56930792
[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium
CID 7000328
[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-(2-phenylethyl)azanium
CID 4610587
1-morpholin-4-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 3131870
1-(furan-2-ylmethylamino)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol;oxalic acid
CID 2952509
(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol
CID 42589661
1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol
CID 17028370
(2R)-1-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propan-2-amine
CID 10220009
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[1-[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]piperidin-3-yl]ethanone
CID 167696224

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The IUPAC name of (2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (CID 797018) is (2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is O[C@@H](CNCc1ccccc1)Cn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of (2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The InChIKey is DRGXYEACPYEKIE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O/c25-18(15-23-14-17-8-2-1-3-9-17)16-24-21-12-6-4-10-19(21)20-11-5-7-13-22(20)24/h1-4,6,8-10,12,18,23,25H,5,7,11,13-16H2/t18-/m0/s1.
What are the key properties of (2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
(2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol has a molecular weight of 334.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 797018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).